N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine

C57H41N — CID 164774958

About N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine

N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine (PubChem CID 164774958) has the molecular formula C57H41N and a molecular weight of 739.96 g/mol. Its IUPAC name is N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine.

Molecular Properties

• Compound Name: N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine
• PubChem CID: 164774958
• Molecular Formula: C57H41N
• Molecular Weight: 739.96 g/mol
• Exact Mass: 739.32
• IUPAC Name: N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine
• SMILES: CC1(C)c2cc3ccccc3cc2-c2cccc(N(c3ccc(-c4ccccc4)cc3-c3ccccc3)c3ccc4ccccc4c3-c3ccc4ccccc4c3)c21
• InChI: InChI=1S/C57H41N/c1-57(2)51-37-44-24-12-11-23-43(44)36-50(51)48-26-15-27-54(56(48)57)58(52-32-31-45(38-16-5-3-6-17-38)35-49(52)40-19-7-4-8-20-40)53-33-30-41-21-13-14-25-47(41)55(53)46-29-28-39-18-9-10-22-42(39)34-46/h3-37H,1-2H3
• InChIKey: KSGOFIYNBPULQG-UHFFFAOYSA-N
• XLogP: 15.92
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.96
LogP ≤ 5	15.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine?

The IUPAC name of N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine (CID 164774958) is N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine.

What is the SMILES notation for N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine?

The canonical SMILES for N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine is CC1(C)c2cc3ccccc3cc2-c2cccc(N(c3ccc(-c4ccccc4)cc3-c3ccccc3)c3ccc4ccccc4c3-c3ccc4ccccc4c3)c21.

What is the InChIKey of N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine?

The InChIKey is KSGOFIYNBPULQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N/c1-57(2)51-37-44-24-12-11-23-43(44)36-50(51)48-26-15-27-54(56(48)57)58(52-32-31-45(38-16-5-3-6-17-38)35-49(52)40-19-7-4-8-20-40)53-33-30-41-21-13-14-25-47(41)55(53)46-29-28-39-18-9-10-22-42(39)34-46/h3-37H,1-2H3.

What are the key properties of N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine?

N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine has a molecular weight of 739.96 g/mol, XLogP of 15.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine is sourced from PubChem (CID 164774958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).